SCHEMBL17212643

SCHEMBL17212643

c1cc(-c2cnc(-c3cccc4c3sc3ccccc34)nc2)cc(-c2cnc(-c3cccc4c3sc3ccccc34)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.50
▸ PARP14 Q460N5 1/20 0.41
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ GPR3 P46089 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PRKDC P78527 5/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LIMK1 P53667 4/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12996577 0.94 ALOX5 (0.48) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL14718477 0.92 ALOX5 (0.55) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL30119932 0.92 ALOX5 (0.55) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212556 0.89 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212566 0.89 ALOX5 (0.49) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212674 0.88 ALOX5 (0.49) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212546 0.86 ALOX5 (0.48) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212702 0.86 ALOX5 (0.46) ALOX5PARP14MAPTPRKDCPIK3CD
SCHEMBL12996574 0.85 ALOX5 (0.50) ALOX5PARP14TNKSTNKS2GPR3
SCHEMBL17212544 0.84 ALOX5 (0.46) ALOX5PARP14GPR3MAPTPRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937347-B1 NOVEL COMPOUND AND ORGANIC ELECTRONIC ELEMENT USING SAME LG CHEMICAL LTD (KR) 2019-01-02 — — EP disclosed
US-9614161-B2 Compound and organic electronic element using same LG CHEM, LTD. (KR) 2017-04-04 — — US disclosed
US-9614161-B2 Compound and organic electronic element using same LG CHEM, LTD. (KR) 2017-04-04 — — US disclosed
US-20150340620-A1 NOVEL COMPOUND AND ORGANIC ELECTRONIC ELEMENT USING SAME LG CHEM, LTD. (KR) 2015-11-26 — — US disclosed
US-20150340620-A1 NOVEL COMPOUND AND ORGANIC ELECTRONIC ELEMENT USING SAME LG CHEM, LTD. (KR) 2015-11-26 — — US disclosed
EP-2937347-A1 NOVEL COMPOUND AND ORGANIC ELECTRONIC ELEMENT USING SAME LG Chem, Ltd. (KR) 2015-10-28 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150340620-A1 NOVEL COMPOUND AND ORGANIC ELECTRONIC ELEMENT USING SAME ESR1, EML4, OR51E2 ALOX5 2392/4885PARP14 3605/4885TNKS 3623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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